1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one

C145H159FN10O12 — CID 159620793

IUPAC1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one
SMILESCC(CO)CC1(C)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21.CCC(=O)C[C@@]1(F)CN(C2CCN(C3c4cccc5cccc(c45)[C@H]3O)CC2)c2ccccc21.COCCC1(C)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21.COCCC1(C)C(=O)N(C2CCN([C@H]3c4cccc5cccc(c45)C3O)CC2)c2ccccc21.COCCC1(O)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C30H34N2O2.C29H31FN2O2.C29H32N2O3.C29H32N2O2.C28H30N2O3/c1-20(19-33)18-30(2)25-11-3-4-12-26(25)32(29(30)34)23-13-15-31(16-14-23)27-17-22-9-5-7-21-8-6-10-24(27)28(21)22;1-2-21(33)17-29(30)18-32(25-12-4-3-11-24(25)29)20-13-15-31(16-14-20)27-22-9-5-7-19-8-6-10-23(26(19)22)28(27)34;1-29(15-18-34-2)23-11-3-4-12-24(23)31(28(29)33)20-13-16-30(17-14-20)26-21-9-5-7-19-8-6-10-22(25(19)21)27(26)32;1-29(15-18-33-2)24-11-3-4-12-25(24)31(28(29)32)22-13-16-30(17-14-22)26-19-21-9-5-7-20-8-6-10-23(26)27(20)21;1-33-17-14-28(32)23-10-2-3-11-24(23)30(27(28)31)21-12-15-29(16-13-21)25-18-20-8-4-6-19-7-5-9-22(25)26(19)20/h3-12,20,23,27,33H,13-19H2,1-2H3;3-12,20,27-28,34H,2,13-18H2,1H3;3-12,20,26-27,32H,13-18H2,1-2H3;3-12,22,26H,13-19H2,1-2H3;2-11,21,25,32H,12-18H2,1H3/t20?,27-,30?;27?,28-,29-;26-,27?,29?;26-,29?;25-,28?/m11011/s1
InChIKeyMNVYHCZMEIJYMW-QAGYKMBQSA-N
MW2252.92 g/mol
LogP24.82
Rot. Bonds25

About 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one

1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one (PubChem CID 159620793) has the molecular formula C145H159FN10O12 and a molecular weight of 2252.92 g/mol. Its IUPAC name is 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one.

Molecular Properties

Compound Name1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one
PubChem CID159620793
Molecular FormulaC145H159FN10O12
Molecular Weight2252.92 g/mol
Exact Mass2251.21
IUPAC Name1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one
SMILESCC(CO)CC1(C)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21.CCC(=O)C[C@@]1(F)CN(C2CCN(C3c4cccc5cccc(c45)[C@H]3O)CC2)c2ccccc21.COCCC1(C)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21.COCCC1(C)C(=O)N(C2CCN([C@H]3c4cccc5cccc(c45)C3O)CC2)c2ccccc21.COCCC1(O)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C30H34N2O2.C29H31FN2O2.C29H32N2O3.C29H32N2O2.C28H30N2O3/c1-20(19-33)18-30(2)25-11-3-4-12-26(25)32(29(30)34)23-13-15-31(16-14-23)27-17-22-9-5-7-21-8-6-10-24(27)28(21)22;1-2-21(33)17-29(30)18-32(25-12-4-3-11-24(25)29)20-13-15-31(16-14-20)27-22-9-5-7-19-8-6-10-23(26(19)22)28(27)34;1-29(15-18-34-2)23-11-3-4-12-24(23)31(28(29)33)20-13-16-30(17-14-20)26-21-9-5-7-19-8-6-10-22(25(19)21)27(26)32;1-29(15-18-33-2)24-11-3-4-12-25(24)31(28(29)32)22-13-16-30(17-14-22)26-19-21-9-5-7-20-8-6-10-23(26)27(20)21;1-33-17-14-28(32)23-10-2-3-11-24(23)30(27(28)31)21-12-15-29(16-13-21)25-18-20-8-4-6-19-7-5-9-22(25)26(19)20/h3-12,20,23,27,33H,13-19H2,1-2H3;3-12,20,27-28,34H,2,13-18H2,1H3;3-12,20,26-27,32H,13-18H2,1-2H3;3-12,22,26H,13-19H2,1-2H3;2-11,21,25,32H,12-18H2,1H3/t20?,27-,30?;27?,28-,29-;26-,27?,29?;26-,29?;25-,28?/m11011/s1
InChIKeyMNVYHCZMEIJYMW-QAGYKMBQSA-N
XLogP24.82
TPSA226.36 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002252.92
LogP ≤ 524.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one?
The IUPAC name of 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one (CID 159620793) is 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one.
What is the SMILES notation for 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one?
The canonical SMILES for 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one is CC(CO)CC1(C)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21.CCC(=O)C[C@@]1(F)CN(C2CCN(C3c4cccc5cccc(c45)[C@H]3O)CC2)c2ccccc21.COCCC1(C)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21.COCCC1(C)C(=O)N(C2CCN([C@H]3c4cccc5cccc(c45)C3O)CC2)c2ccccc21.COCCC1(O)C(=O)N(C2CCN([C@@H]3Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one?
The InChIKey is MNVYHCZMEIJYMW-QAGYKMBQSA-N. The full InChI is InChI=1S/C30H34N2O2.C29H31FN2O2.C29H32N2O3.C29H32N2O2.C28H30N2O3/c1-20(19-33)18-30(2)25-11-3-4-12-26(25)32(29(30)34)23-13-15-31(16-14-23)27-17-22-9-5-7-21-8-6-10-24(27)28(21)22;1-2-21(33)17-29(30)18-32(25-12-4-3-11-24(25)29)20-13-15-31(16-14-20)27-22-9-5-7-19-8-6-10-23(26(19)22)28(27)34;1-29(15-18-34-2)23-11-3-4-12-24(23)31(28(29)33)20-13-16-30(17-14-20)26-21-9-5-7-19-8-6-10-22(25(19)21)27(26)32;1-29(15-18-33-2)24-11-3-4-12-25(24)31(28(29)32)22-13-16-30(17-14-22)26-19-21-9-5-7-20-8-6-10-23(26)27(20)21;1-33-17-14-28(32)23-10-2-3-11-24(23)30(27(28)31)21-12-15-29(16-13-21)25-18-20-8-4-6-19-7-5-9-22(25)26(19)20/h3-12,20,23,27,33H,13-19H2,1-2H3;3-12,20,27-28,34H,2,13-18H2,1H3;3-12,20,26-27,32H,13-18H2,1-2H3;3-12,22,26H,13-19H2,1-2H3;2-11,21,25,32H,12-18H2,1H3/t20?,27-,30?;27?,28-,29-;26-,27?,29?;26-,29?;25-,28?/m11011/s1.
What are the key properties of 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one?
1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one has a molecular weight of 2252.92 g/mol, XLogP of 24.82, 25 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-hydroxy-3-(2-methoxyethyl)indol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(3-hydroxy-2-methylpropyl)-3-methylindol-2-one;1-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one;1-[(3S)-3-fluoro-1-[1-[(2R)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2H-indol-3-yl]butan-2-one;1-[1-[(1S)-2-hydroxy-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-3-(2-methoxyethyl)-3-methylindol-2-one is sourced from PubChem (CID 159620793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).